#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:35:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179926 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/21/7022177.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7022177
loop_
_publ_author_name
'Du, Peng'
'Yang, Yan'
'Yang, Jin'
'Liu, Bing-Kun'
'Ma, Jian-Fang'
_publ_section_title
;
 Syntheses, structures, photoluminescence, photocatalysis, and
 photoelectronic effects of 3D mixed high-connected metal-organic
 frameworks based on octanuclear and dodecanuclear secondary building
 units.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1567
_journal_page_last               1580
_journal_paper_doi               10.1039/c2dt31964k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C48 H23 N2 O18.5 Cd4'
_chemical_formula_sum            'C48 H23 Cd4 N2 O18.5'
_chemical_formula_weight         1373.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.338(3)
_cell_angle_beta                 93.090(3)
_cell_angle_gamma                97.491(3)
_cell_formula_units_Z            2
_cell_length_a                   10.4300(3)
_cell_length_b                   15.0030(5)
_cell_length_c                   15.4310(5)
_cell_measurement_reflns_used    4111
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1888
_cell_measurement_theta_min      2.7566
_cell_volume                     2330.41(13)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0802
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14400
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    1.882
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1330
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     718
_refine_ls_number_reflns         8214
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0113P)²+8.8064P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                6345
_reflns_number_total             8214
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2dt31964k.txt
_cod_data_source_block           Compound-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7022177
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.13215(6) 0.28201(4) -0.01693(3) 0.02641(16) Uani 1 1 d .
Cd2 Cd 0.05644(7) 0.32911(4) -0.21952(4) 0.03687(19) Uani 1 1 d .
Cd3 Cd 0.39566(6) 0.43422(4) -0.09087(3) 0.02421(15) Uani 1 1 d .
Cd4 Cd 0.36531(5) 0.41799(4) 0.16428(3) 0.02385(15) Uani 1 1 d .
C1 C -0.2493(8) 0.1971(5) 0.0292(5) 0.0264(18) Uani 1 1 d .
C2 C -0.3541(8) 0.2366(5) 0.0005(5) 0.0279(19) Uani 1 1 d .
H2 H -0.3403 0.2806 -0.0336 0.033 Uiso 1 1 calc R
C3 C -0.4771(8) 0.2104(5) 0.0227(5) 0.0253(18) Uani 1 1 d .
C4 C -0.4999(8) 0.1431(6) 0.0726(5) 0.033(2) Uani 1 1 d .
H4 H -0.5831 0.1261 0.0881 0.040 Uiso 1 1 calc R
C5 C -0.3976(9) 0.1021(6) 0.0984(6) 0.039(2) Uani 1 1 d .
C6 C -0.2725(8) 0.1284(6) 0.0773(5) 0.032(2) Uani 1 1 d .
H6 H -0.2043 0.1004 0.0951 0.039 Uiso 1 1 calc R
C7 C -0.1147(8) 0.2296(6) 0.0109(5) 0.0273(19) Uani 1 1 d .
C8 C -0.5833(8) 0.2618(5) -0.0021(5) 0.030(2) Uani 1 1 d .
C9 C -0.5313(9) 0.0032(6) 0.1695(6) 0.043(2) Uani 1 1 d .
H9A H -0.5881 -0.0277 0.1169 0.052 Uiso 1 1 calc R
H9B H -0.5695 0.0556 0.1999 0.052 Uiso 1 1 calc R
C10 C -0.5186(8) -0.0617(6) 0.2295(5) 0.0292(19) Uani 1 1 d .
C11 C -0.6096(8) -0.1365(6) 0.2250(5) 0.032(2) Uani 1 1 d .
H11 H -0.6793 -0.1488 0.1819 0.039 Uiso 1 1 calc R
C12 C -0.6014(9) -0.1950(6) 0.2829(5) 0.038(2) Uani 1 1 d .
H12 H -0.6661 -0.2451 0.2783 0.045 Uiso 1 1 calc R
C13 C -0.4982(8) -0.1803(5) 0.3477(5) 0.0258(18) Uani 1 1 d .
C14 C -0.4064(9) -0.1033(6) 0.3527(5) 0.037(2) Uani 1 1 d .
H14 H -0.3369 -0.0904 0.3959 0.044 Uiso 1 1 calc R
C15 C -0.4159(9) -0.0455(6) 0.2948(6) 0.040(2) Uani 1 1 d .
H15 H -0.3523 0.0053 0.2996 0.049 Uiso 1 1 calc R
C16 C -0.4885(8) -0.2400(5) 0.4117(5) 0.0293(19) Uani 1 1 d .
C17 C -0.5049(11) -0.3352(6) 0.3857(5) 0.046(3) Uani 1 1 d .
C18' C -0.538(3) -0.388(2) 0.4477(17) 0.044(7) Uani 0.50 1 d P
C18 C -0.467(2) -0.3883(19) 0.4546(17) 0.039(6) Uani 0.50 1 d P
C19 C -0.443(2) -0.3421(16) 0.5442(13) 0.043(5) Uani 0.50 1 d PU
C19' C -0.515(2) -0.3502(16) 0.5379(15) 0.046(6) Uani 0.50 1 d PU
C20 C -0.4646(11) -0.2509(7) 0.5668(6) 0.053(3) Uani 1 1 d .
C21 C -0.4715(9) -0.1984(6) 0.5037(5) 0.040(2) Uani 1 1 d .
H21 H -0.4647 -0.1346 0.5219 0.048 Uiso 1 1 calc R
C22 C -0.5231(11) -0.3905(6) 0.2903(6) 0.048(3) Uani 1 1 d .
C23 C -0.0206(7) 0.3460(5) 0.2249(5) 0.0253(18) Uani 1 1 d .
C24 C -0.1272(8) 0.3802(5) 0.1962(5) 0.0277(19) Uani 1 1 d .
H24 H -0.1193 0.4175 0.1552 0.033 Uiso 1 1 calc R
C25 C -0.2466(8) 0.3592(5) 0.2281(5) 0.0266(18) Uani 1 1 d .
C26 C -0.2574(8) 0.3029(6) 0.2884(5) 0.032(2) Uani 1 1 d .
H26 H -0.3373 0.2886 0.3100 0.039 Uiso 1 1 calc R
C27 C -0.1503(8) 0.2675(6) 0.3170(5) 0.035(2) Uani 1 1 d .
C28 C -0.0320(8) 0.2899(6) 0.2859(5) 0.034(2) Uani 1 1 d .
H28 H 0.0405 0.2673 0.3056 0.040 Uiso 1 1 calc R
C29 C 0.1122(8) 0.3694(5) 0.1946(5) 0.0283(19) Uani 1 1 d .
C30 C -0.3630(9) 0.3945(6) 0.1951(5) 0.031(2) Uani 1 1 d .
C31 C -0.0633(9) 0.1734(6) 0.4030(6) 0.041(2) Uani 1 1 d .
H31A H 0.0143 0.2188 0.4167 0.049 Uiso 1 1 calc R
H31B H -0.0489 0.1253 0.3530 0.049 Uiso 1 1 calc R
C32 C -0.0886(9) 0.1326(6) 0.4821(5) 0.033(2) Uani 1 1 d .
C33 C -0.2101(9) 0.0998(6) 0.5027(5) 0.035(2) Uani 1 1 d .
H33 H -0.2828 0.1052 0.4677 0.042 Uiso 1 1 calc R
C34 C -0.2259(9) 0.0591(6) 0.5743(5) 0.035(2) Uani 1 1 d .
H34 H -0.3090 0.0378 0.5871 0.042 Uiso 1 1 calc R
C35 C -0.1182(8) 0.0496(5) 0.6281(5) 0.0280(19) Uani 1 1 d .
C36 C 0.0040(8) 0.0844(5) 0.6091(5) 0.032(2) Uani 1 1 d .
H36 H 0.0767 0.0804 0.6449 0.038 Uiso 1 1 calc R
C37 C 0.0185(8) 0.1249(5) 0.5374(5) 0.031(2) Uani 1 1 d .
H37 H 0.1014 0.1477 0.5255 0.037 Uiso 1 1 calc R
C38 C -0.1316(8) 0.0034(5) 0.7045(5) 0.0285(19) Uani 1 1 d .
C39 C -0.2028(9) -0.0834(5) 0.6917(5) 0.035(2) Uani 1 1 d .
H39 H -0.2468 -0.1104 0.6364 0.042 Uiso 1 1 calc R
C40 C -0.2102(9) -0.1318(6) 0.7601(6) 0.042(2) Uani 1 1 d .
H40 H -0.2604 -0.1895 0.7506 0.050 Uiso 1 1 calc R
C41 C -0.1442(9) -0.0940(6) 0.8394(6) 0.045(3) Uani 1 1 d .
H41 H -0.1465 -0.1267 0.8843 0.054 Uiso 1 1 calc R
C42 C -0.0727(9) -0.0069(6) 0.8551(6) 0.047(3) Uani 1 1 d .
H42 H -0.0284 0.0187 0.9107 0.056 Uiso 1 1 calc R
C43 C -0.0664(8) 0.0429(6) 0.7888(5) 0.031(2) Uani 1 1 d .
C44 C 0.0010(9) 0.1413(6) 0.8132(5) 0.032(2) Uani 1 1 d .
C45 C -0.100(2) 0.4113(17) -0.3522(15) 0.044(6) Uani 0.50 1 d P
C45' C -0.059(3) 0.3787(18) -0.397(2) 0.062(7) Uani 0.50 1 d P
C46 C -0.027(3) 0.397(2) -0.477(2) 0.039(7) Uani 0.50 1 d P
C46' C 0.021(4) 0.411(2) -0.468(2) 0.045(9) Uani 0.50 1 d PU
C47 C 0.154(3) 0.399(3) -0.391(2) 0.053(8) Uani 0.50 1 d P
C47' C 0.084(3) 0.387(2) -0.398(2) 0.049(7) Uani 0.50 1 d P
C48 C -0.193(2) 0.5601(19) -0.4645(14) 0.071(7) Uani 0.50 1 d P
C48' C -0.216(2) 0.4557(16) -0.4766(13) 0.062(6) Uani 0.50 1 d P
O1 O -0.0230(5) 0.1951(4) 0.0375(4) 0.0356(14) Uani 1 1 d .
O2 O -0.0969(6) 0.2944(4) -0.0300(4) 0.0380(14) Uani 1 1 d .
O3 O -0.5738(6) 0.2935(4) -0.0698(3) 0.0368(14) Uani 1 1 d .
O4 O -0.6783(5) 0.2682(4) 0.0477(3) 0.0292(13) Uani 1 1 d .
O5 O -0.4089(6) 0.0340(5) 0.1443(4) 0.0540(18) Uani 1 1 d .
O6 O -0.4366(7) -0.3766(4) 0.2401(4) 0.0441(16) Uani 1 1 d .
O7 O -0.6264(8) -0.4459(4) 0.2679(5) 0.072(2) Uani 1 1 d .
O8 O 0.2090(5) 0.3596(4) 0.2407(3) 0.0322(13) Uani 1 1 d .
O9 O 0.1239(5) 0.3985(4) 0.1233(3) 0.0332(14) Uani 1 1 d .
O10 O -0.3522(6) 0.4366(4) 0.1339(4) 0.0455(16) Uani 1 1 d .
O11 O -0.4692(6) 0.3756(5) 0.2286(4) 0.0468(17) Uani 1 1 d .
O12 O -0.1710(6) 0.2160(5) 0.3797(4) 0.0513(18) Uani 1 1 d .
O13 O -0.0565(6) 0.1983(4) 0.7823(4) 0.0400(15) Uani 1 1 d .
O14 O 0.1047(6) 0.1605(4) 0.8612(4) 0.0398(15) Uani 1 1 d .
O15 O 0.1763(5) 0.3906(3) -0.0961(3) 0.0246(12) Uani 1 1 d .
O16 O 0.3942(5) 0.4972(4) 0.0584(3) 0.0278(13) Uani 1 1 d .
N1 N 0.0294(11) 0.3815(6) -0.3378(6) 0.063(3) Uani 1 1 d .
N2 N 0.113(2) 0.4114(14) -0.4696(12) 0.062(6) Uani 0.50 1 d P
N2' N -0.1027(18) 0.4252(12) -0.4341(12) 0.048(4) Uani 0.50 1 d P
O1W O 0.2271(6) 0.2513(5) -0.2673(4) 0.0575(19) Uani 1 1 d .
O2W O -0.1363(7) 0.3880(5) -0.1619(5) 0.074(2) Uani 1 1 d .
O3W O 0.0000 0.5000 0.0000 0.098(4) Uani 1 2 d SU
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O4 Cd1 O15 105.63(19) 1_655 .
O4 Cd1 O1 107.3(2) 1_655 .
O15 Cd1 O1 146.43(19) . .
O4 Cd1 O14 102.2(2) 1_655 1_554
O15 Cd1 O14 94.74(19) . 1_554
O1 Cd1 O14 84.7(2) . 1_554
O4 Cd1 O2 157.75(19) 1_655 .
O15 Cd1 O2 90.91(18) . .
O1 Cd1 O2 55.59(19) . .
O14 Cd1 O2 90.9(2) 1_554 .
O4 Cd1 O9 83.02(19) 1_655 .
O15 Cd1 O9 92.87(17) . .
O1 Cd1 O9 84.75(19) . .
O14 Cd1 O9 169.2(2) 1_554 .
O2 Cd1 O9 81.36(19) . .
O4 Cd1 C7 133.5(2) 1_655 .
O15 Cd1 C7 119.1(2) . .
O1 Cd1 C7 27.4(2) . .
O14 Cd1 C7 87.0(2) 1_554 .
O2 Cd1 C7 28.2(2) . .
O9 Cd1 C7 82.6(2) . .
O4 Cd1 Cd2 130.55(14) 1_655 .
O15 Cd1 Cd2 38.56(11) . .
O1 Cd1 Cd2 116.86(14) . .
O14 Cd1 Cd2 62.83(15) 1_554 .
O2 Cd1 Cd2 71.47(13) . .
O9 Cd1 Cd2 120.78(12) . .
C7 Cd1 Cd2 94.45(17) . .
N1 Cd2 O13 116.8(3) . 1_554
N1 Cd2 O15 129.9(3) . .
O13 Cd2 O15 113.24(19) 1_554 .
N1 Cd2 O1W 95.3(4) . .
O13 Cd2 O1W 88.9(2) 1_554 .
O15 Cd2 O1W 87.6(2) . .
N1 Cd2 O2W 91.2(4) . .
O13 Cd2 O2W 82.3(2) 1_554 .
O15 Cd2 O2W 93.2(2) . .
O1W Cd2 O2W 170.7(2) . .
N1 Cd2 Cd1 170.0(2) . .
O13 Cd2 Cd1 73.09(14) 1_554 .
O15 Cd2 Cd1 40.17(13) . .
O1W Cd2 Cd1 85.61(17) . .
O2W Cd2 Cd1 89.07(17) . .
O3 Cd3 O10 171.0(2) 1_655 2_565
O3 Cd3 O16 97.2(2) 1_655 2_665
O10 Cd3 O16 87.7(2) 2_565 2_665
O3 Cd3 O15 89.2(2) 1_655 .
O10 Cd3 O15 87.6(2) 2_565 .
O16 Cd3 O15 166.85(18) 2_665 .
O3 Cd3 O16 93.96(19) 1_655 .
O10 Cd3 O16 94.4(2) 2_565 .
O16 Cd3 O16 79.6(2) 2_665 .
O15 Cd3 O16 88.54(17) . .
O3 Cd3 O6 85.5(2) 1_655 2
O10 Cd3 O6 86.9(2) 2_565 2
O16 Cd3 O6 90.6(2) 2_665 2
O15 Cd3 O6 101.4(2) . 2
O16 Cd3 O6 170.0(2) . 2
O11 Cd4 O16 120.2(2) 1_655 .
O11 Cd4 O8 98.2(2) 1_655 .
O16 Cd4 O8 141.63(19) . .
O11 Cd4 O7 94.4(3) 1_655 1_665
O16 Cd4 O7 89.6(2) . 1_665
O8 Cd4 O7 86.5(2) . 1_665
O11 Cd4 O9 149.9(2) 1_655 .
O16 Cd4 O9 88.24(17) . .
O8 Cd4 O9 54.30(17) . .
O7 Cd4 O9 95.5(2) 1_665 .
O11 Cd4 O4 92.6(2) 1_655 1_655
O16 Cd4 O4 90.46(18) . 1_655
O8 Cd4 O4 88.41(19) . 1_655
O7 Cd4 O4 171.8(2) 1_665 1_655
O9 Cd4 O4 76.34(17) . 1_655
O11 Cd4 C29 124.4(2) 1_655 .
O16 Cd4 C29 115.3(2) . .
O8 Cd4 C29 26.7(2) . .
O7 Cd4 C29 89.9(2) 1_665 .
O9 Cd4 C29 27.63(19) . .
O4 Cd4 C29 82.70(19) 1_655 .
C6 C1 C2 119.2(7) . .
C6 C1 C7 120.3(7) . .
C2 C1 C7 120.5(7) . .
C3 C2 C1 120.2(7) . .
C2 C3 C4 120.6(7) . .
C2 C3 C8 117.8(7) . .
C4 C3 C8 121.5(7) . .
C5 C4 C3 119.3(8) . .
O5 C5 C4 124.4(8) . .
O5 C5 C6 114.8(8) . .
C4 C5 C6 120.8(8) . .
C5 C6 C1 119.9(8) . .
O1 C7 O2 121.5(7) . .
O1 C7 C1 119.9(7) . .
O2 C7 C1 118.5(7) . .
O1 C7 Cd1 57.0(4) . .
O2 C7 Cd1 64.6(4) . .
C1 C7 Cd1 176.9(6) . .
O3 C8 O4 124.8(8) . .
O3 C8 C3 117.6(8) . .
O4 C8 C3 117.6(7) . .
O5 C9 C10 110.1(7) . .
C11 C10 C15 117.5(7) . .
C11 C10 C9 121.4(7) . .
C15 C10 C9 121.1(8) . .
C10 C11 C12 121.8(7) . .
C11 C12 C13 121.3(8) . .
C14 C13 C12 116.7(7) . .
C14 C13 C16 120.8(7) . .
C12 C13 C16 122.4(7) . .
C15 C14 C13 121.5(8) . .
C14 C15 C10 121.3(8) . .
C17 C16 C21 118.8(7) . .
C17 C16 C13 122.6(7) . .
C21 C16 C13 118.5(7) . .
C16 C17 C18' 119.4(13) . .
C16 C17 C22 125.5(8) . .
C18' C17 C22 113.4(13) . .
C16 C17 C18 117.5(12) . .
C18' C17 C18 28.8(11) . .
C22 C17 C18 115.0(12) . .
C18 C18' C19' 79(4) . .
C18 C18' C17 85(4) . .
C19' C18' C17 121(2) . .
C18 C18' C19 54(3) . .
C19' C18' C19 25.2(13) . .
C17 C18' C19 109(2) . .
C18' C18 C19 101(4) . .
C18' C18 C19' 71(4) . .
C19 C18 C19' 30.3(12) . .
C18' C18 C17 66(3) . .
C19 C18 C17 119(2) . .
C19' C18 C17 109.5(19) . .
C19' C19 C20 82(3) . .
C19' C19 C18 77(3) . .
C20 C19 C18 117.7(18) . .
C19' C19 C18' 52(3) . .
C20 C19 C18' 104.5(16) . .
C18 C19 C18' 25.1(11) . .
C19 C19' C18' 102(3) . .
C19 C19' C18 73(3) . .
C18' C19' C18 30.3(11) . .
C19 C19' C20 69(3) . .
C18' C19' C20 118(2) . .
C18 C19' C20 110(2) . .
C21 C20 C19 121.5(11) . .
C21 C20 C19' 117.0(11) . .
C19 C20 C19' 29.8(11) . .
C20 C21 C16 121.1(8) . .
O6 C22 O7 125.2(9) . .
O6 C22 C17 118.1(9) . .
O7 C22 C17 116.7(9) . .
C24 C23 C28 120.2(8) . .
C24 C23 C29 122.2(7) . .
C28 C23 C29 117.6(7) . .
C23 C24 C25 120.2(7) . .
C26 C25 C24 119.4(7) . .
C26 C25 C30 120.5(7) . .
C24 C25 C30 120.1(7) . .
C25 C26 C27 120.7(8) . .
O12 C27 C28 124.7(8) . .
O12 C27 C26 115.6(7) . .
C28 C27 C26 119.5(7) . .
C27 C28 C23 120.1(8) . .
O8 C29 O9 121.3(8) . .
O8 C29 C23 118.6(7) . .
O9 C29 C23 120.1(7) . .
O8 C29 Cd4 54.6(4) . .
O9 C29 Cd4 66.9(4) . .
C23 C29 Cd4 172.0(5) . .
O10 C30 O11 123.9(8) . .
O10 C30 C25 118.6(8) . .
O11 C30 C25 117.5(7) . .
O12 C31 C32 110.4(7) . .
C33 C32 C37 117.7(7) . .
C33 C32 C31 124.3(8) . .
C37 C32 C31 118.0(8) . .
C32 C33 C34 121.2(8) . .
C33 C34 C35 120.7(8) . .
C36 C35 C34 118.3(7) . .
C36 C35 C38 119.6(7) . .
C34 C35 C38 122.1(8) . .
C37 C36 C35 120.4(7) . .
C36 C37 C32 121.6(8) . .
C39 C38 C43 118.1(7) . .
C39 C38 C35 119.9(7) . .
C43 C38 C35 121.9(7) . .
C38 C39 C40 121.6(8) . .
C41 C40 C39 119.4(8) . .
C40 C41 C42 120.7(8) . .
C41 C42 C43 120.6(8) . .
C42 C43 C38 119.5(8) . .
C42 C43 C44 117.9(7) . .
C38 C43 C44 122.4(7) . .
O14 C44 O13 125.3(8) . .
O14 C44 C43 119.5(8) . .
O13 C44 C43 115.2(7) . .
C45' C45 N2' 56(2) . .
C45' C45 N1 57(2) . .
N2' C45 N1 104.4(18) . .
C45 C45' N2' 81(3) . .
C45 C45' N1 86(3) . .
N2' C45' N1 140(3) . .
C45 C45' C46 131(4) . .
N2' C45' C46 52(2) . .
N1 C45' C46 119(3) . .
C45 C45' C47' 123(4) . .
N2' C45' C47' 113(3) . .
N1 C45' C47' 48.0(17) . .
C46 C45' C47' 72(2) . .
C45 C45' C46' 131(3) . .
N2' C45' C46' 64(2) . .
N1 C45' C46' 100(2) . .
C46 C45' C46' 19.6(14) . .
C47' C45' C46' 54(2) . .
C46' C46 N2' 118(8) . .
C46' C46 C45' 98(7) . .
N2' C46 C45' 51.9(19) . .
C46' C46 N2 17(6) . .
N2' C46 N2 134(3) . .
C45' C46 N2 104(2) . .
C46' C46 C47' 46(6) . .
N2' C46 C47' 100(2) . .
C45' C46 C47' 57.2(18) . .
N2 C46 C47' 47.2(14) . .
C46 C46' N2 154(9) . .
C46 C46' C47' 119(8) . .
N2 C46' C47' 63(3) . .
C46 C46' N2' 43(6) . .
N2 C46' N2' 160(4) . .
C47' C46' N2' 101(3) . .
C46 C46' C45' 62(6) . .
N2 C46' C45' 124(3) . .
C47' C46' C45' 61(2) . .
N2' C46' C45' 43.8(15) . .
C46 C46' C47 138(8) . .
N2 C46' C47 44(2) . .
C47' C46' C47 20.4(17) . .
N2' C46' C47 119(2) . .
C45' C46' C47 81(2) . .
C47' C47 N2 70(5) . .
C47' C47 N1 39(4) . .
N2 C47 N1 108(2) . .
C47' C47 C46' 41(4) . .
N2 C47 C46' 30.4(15) . .
N1 C47 C46' 77.4(17) . .
C47 C47' N1 117(6) . .
C47 C47' N2 78(5) . .
N1 C47' N2 159(3) . .
C47 C47' C46' 119(6) . .
N1 C47' C46' 118(3) . .
N2 C47' C46' 42.5(18) . .
C47 C47' C45' 168(6) . .
N1 C47' C45' 55.3(17) . .
N2 C47' C45' 107(3) . .
C46' C47' C45' 65(2) . .
C47 C47' C46 134(5) . .
N1 C47' C46 106(2) . .
N2 C47' C46 56.7(18) . .
C46' C47' C46 15.8(19) . .
C45' C47' C46 51.0(18) . .
N2 C48 C48' 112(2) 2_564 .
N2' C48' C48 109.6(18) . .
C7 O1 Cd1 95.7(5) . .
C7 O2 Cd1 87.2(5) . .
C8 O3 Cd3 129.7(5) . 1_455
C8 O4 Cd1 116.6(5) . 1_455
C8 O4 Cd4 109.8(5) . 1_455
Cd1 O4 Cd4 100.7(2) 1_455 1_455
C5 O5 C9 119.1(7) . .
C22 O6 Cd3 137.4(6) . 2
C22 O7 Cd4 121.8(7) . 1_445
C29 O8 Cd4 98.7(5) . .
C29 O9 Cd1 117.5(5) . .
C29 O9 Cd4 85.5(5) . .
Cd1 O9 Cd4 93.94(19) . .
C30 O10 Cd3 143.5(6) . 2_565
C30 O11 Cd4 113.5(5) . 1_455
C27 O12 C31 115.2(7) . .
C44 O13 Cd2 117.1(5) . 1_556
C44 O14 Cd1 120.2(6) . 1_556
Cd2 O15 Cd1 101.27(19) . .
Cd2 O15 Cd3 123.0(2) . .
Cd1 O15 Cd3 110.32(19) . .
Cd4 O16 Cd3 102.55(19) . 2_665
Cd4 O16 Cd3 125.6(2) . .
Cd3 O16 Cd3 100.4(2) 2_665 .
C47' N1 C45' 77(2) . .
C47' N1 C45 107.5(19) . .
C45' N1 C45 37.5(14) . .
C47' N1 C47 24(2) . .
C45' N1 C47 100.3(19) . .
C45 N1 C47 126.9(15) . .
C47' N1 Cd2 137.0(17) . .
C45' N1 Cd2 138.3(15) . .
C45 N1 Cd2 115.2(11) . .
C47 N1 Cd2 117.2(12) . .
C46' N2 C47' 74(3) . .
C46' N2 C47 105(3) . .
C47' N2 C47 32.4(14) . .
C46' N2 C46 9(3) . .
C47' N2 C46 76(2) . .
C47 N2 C46 108(2) . .
C46' N2 C48 127(3) . 2_564
C47' N2 C48 159(3) . 2_564
C47 N2 C48 127(2) . 2_564
C46 N2 C48 125(2) . 2_564
C45' N2' C46 76(3) . .
C45' N2' C45 42.9(17) . .
C46 N2' C45 117(2) . .
C45' N2' C46' 73(2) . .
C46 N2' C46' 19(2) . .
C45 N2' C46' 108(2) . .
C45' N2' C48' 152(2) . .
C46 N2' C48' 119(2) . .
C45 N2' C48' 123(2) . .
C46' N2' C48' 129(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.219(5) 1_655
Cd1 O15 2.252(5) .
Cd1 O1 2.255(6) .
Cd1 O14 2.298(5) 1_554
Cd1 O2 2.421(6) .
Cd1 O9 2.488(5) .
Cd1 C7 2.677(8) .
Cd1 Cd2 3.4234(8) .
Cd2 N1 2.155(8) .
Cd2 O13 2.159(6) 1_554
Cd2 O15 2.176(4) .
Cd2 O1W 2.321(7) .
Cd2 O2W 2.436(8) .
Cd3 O3 2.262(5) 1_655
Cd3 O10 2.270(6) 2_565
Cd3 O16 2.277(5) 2_665
Cd3 O15 2.288(5) .
Cd3 O16 2.296(5) .
Cd3 O6 2.363(6) 2
Cd4 O11 2.177(6) 1_655
Cd4 O16 2.227(5) .
Cd4 O8 2.257(5) .
Cd4 O7 2.297(6) 1_665
Cd4 O9 2.526(6) .
Cd4 O4 2.532(5) 1_655
Cd4 C29 2.738(8) .
C1 C6 1.397(11) .
C1 C2 1.404(11) .
C1 C7 1.487(11) .
C2 C3 1.375(11) .
C3 C4 1.400(11) .
C3 C8 1.506(11) .
C4 C5 1.381(11) .
C5 O5 1.358(10) .
C5 C6 1.390(12) .
C7 O1 1.237(9) .
C7 O2 1.267(9) .
C8 O3 1.240(9) .
C8 O4 1.288(10) .
C9 O5 1.404(11) .
C9 C10 1.493(11) .
C10 C11 1.359(11) .
C10 C15 1.391(11) .
C11 C12 1.387(11) .
C12 C13 1.391(11) .
C13 C14 1.386(11) .
C13 C16 1.476(11) .
C14 C15 1.379(11) .
C16 C17 1.384(11) .
C16 C21 1.414(10) .
C17 C18' 1.40(3) .
C17 C22 1.516(11) .
C17 C18 1.52(3) .
C18' C18 0.74(2) .
C18' C19' 1.38(3) .
C18' C19 1.70(3) .
C18 C19 1.40(3) .
C18 C19' 1.43(3) .
C19 C19' 0.74(3) .
C19 C20 1.39(2) .
C19' C20 1.48(3) .
C20 C21 1.382(12) .
C22 O6 1.246(11) .
C22 O7 1.254(11) .
C23 C24 1.375(11) .
C23 C28 1.390(10) .
C23 C29 1.508(11) .
C24 C25 1.387(11) .
C25 C26 1.383(10) .
C25 C30 1.493(11) .
C26 C27 1.388(11) .
C27 O12 1.371(9) .
C27 C28 1.375(11) .
C29 O8 1.245(9) .
C29 O9 1.274(9) .
C30 O10 1.245(10) .
C30 O11 1.272(10) .
C31 O12 1.429(10) .
C31 C32 1.498(11) .
C32 C33 1.377(12) .
C32 C37 1.401(11) .
C33 C34 1.380(11) .
C34 C35 1.401(11) .
C35 C36 1.383(11) .
C35 C38 1.494(10) .
C36 C37 1.377(10) .
C38 C39 1.380(11) .
C38 C43 1.406(10) .
C39 C40 1.403(11) .
C40 C41 1.343(11) .
C41 C42 1.383(12) .
C42 C43 1.389(11) .
C43 C44 1.510(11) .
C44 O14 1.242(9) .
C44 O13 1.263(10) .
C45 C45' 0.91(3) .
C45 N2' 1.32(3) .
C45 N1 1.49(3) .
C45' N2' 1.12(3) .
C45' N1 1.25(3) .
C45' C46 1.37(4) .
C45' C47' 1.49(4) .
C45' C46' 1.54(5) .
C46 C46' 0.52(3) .
C46 N2' 1.12(3) .
C46 N2 1.45(3) .
C46 C47' 1.68(4) .
C46' N2 0.96(3) .
C46' C47' 1.37(5) .
C46' N2' 1.44(4) .
C46' C47 1.83(4) .
C47 C47' 0.73(3) .
C47 N2 1.32(4) .
C47 N1 1.60(3) .
C47' N1 1.13(3) .
C47' N2 1.27(4) .
C48 N2 1.45(3) 2_564
C48 C48' 1.52(3) .
C48' N2' 1.49(2) .
O3 Cd3 2.262(5) 1_455
O4 Cd1 2.219(5) 1_455
O4 Cd4 2.532(5) 1_455
O6 Cd3 2.363(6) 2
O7 Cd4 2.297(6) 1_445
O10 Cd3 2.270(6) 2_565
O11 Cd4 2.177(6) 1_455
O13 Cd2 2.159(6) 1_556
O14 Cd1 2.298(5) 1_556
O16 Cd3 2.277(5) 2_665
N2 C48 1.45(3) 2_564
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O4 Cd1 Cd2 N1 -64.1(18) 1_655 .
O15 Cd1 Cd2 N1 -4.4(18) . .
O1 Cd1 Cd2 N1 145.3(18) . .
O14 Cd1 Cd2 N1 -146.9(18) 1_554 .
O2 Cd1 Cd2 N1 112.2(18) . .
O9 Cd1 Cd2 N1 44.8(18) . .
C7 Cd1 Cd2 N1 128.8(18) . .
O4 Cd1 Cd2 O13 122.0(3) 1_655 1_554
O15 Cd1 Cd2 O13 -178.3(3) . 1_554
O1 Cd1 Cd2 O13 -28.6(2) . 1_554
O14 Cd1 Cd2 O13 39.2(2) 1_554 1_554
O2 Cd1 Cd2 O13 -61.7(2) . 1_554
O9 Cd1 Cd2 O13 -129.1(2) . 1_554
C7 Cd1 Cd2 O13 -45.1(3) . 1_554
O4 Cd1 Cd2 O15 -59.7(3) 1_655 .
O1 Cd1 Cd2 O15 149.7(3) . .
O14 Cd1 Cd2 O15 -142.5(3) 1_554 .
O2 Cd1 Cd2 O15 116.6(3) . .
O9 Cd1 Cd2 O15 49.2(3) . .
C7 Cd1 Cd2 O15 133.2(3) . .
O4 Cd1 Cd2 O1W 31.8(2) 1_655 .
O15 Cd1 Cd2 O1W 91.5(3) . .
O1 Cd1 Cd2 O1W -118.8(2) . .
O14 Cd1 Cd2 O1W -50.9(2) 1_554 .
O2 Cd1 Cd2 O1W -151.9(2) . .
O9 Cd1 Cd2 O1W 140.7(2) . .
C7 Cd1 Cd2 O1W -135.3(2) . .
O4 Cd1 Cd2 O2W -155.8(3) 1_655 .
O15 Cd1 Cd2 O2W -96.1(3) . .
O1 Cd1 Cd2 O2W 53.6(2) . .
O14 Cd1 Cd2 O2W 121.4(2) 1_554 .
O2 Cd1 Cd2 O2W 20.5(2) . .
O9 Cd1 Cd2 O2W -46.9(2) . .
C7 Cd1 Cd2 O2W 37.1(2) . .
C6 C1 C2 C3 2.6(11) . .
C7 C1 C2 C3 -175.8(7) . .
C1 C2 C3 C4 -1.2(11) . .
C1 C2 C3 C8 174.0(7) . .
C2 C3 C4 C5 -0.8(12) . .
C8 C3 C4 C5 -175.9(7) . .
C3 C4 C5 O5 -177.7(8) . .
C3 C4 C5 C6 1.5(13) . .
O5 C5 C6 C1 179.2(8) . .
C4 C5 C6 C1 0.0(13) . .
C2 C1 C6 C5 -2.0(12) . .
C7 C1 C6 C5 176.4(7) . .
C6 C1 C7 O1 0.7(11) . .
C2 C1 C7 O1 179.1(7) . .
C6 C1 C7 O2 -177.4(7) . .
C2 C1 C7 O2 1.0(11) . .
C6 C1 C7 Cd1 -3(11) . .
C2 C1 C7 Cd1 175(10) . .
O4 Cd1 C7 O1 -19.9(6) 1_655 .
O15 Cd1 C7 O1 177.9(4) . .
O14 Cd1 C7 O1 84.2(5) 1_554 .
O2 Cd1 C7 O1 -178.4(8) . .
O9 Cd1 C7 O1 -92.9(5) . .
Cd2 Cd1 C7 O1 146.6(4) . .
O4 Cd1 C7 O2 158.5(4) 1_655 .
O15 Cd1 C7 O2 -3.7(5) . .
O1 Cd1 C7 O2 178.4(8) . .
O14 Cd1 C7 O2 -97.4(4) 1_554 .
O9 Cd1 C7 O2 85.5(4) . .
Cd2 Cd1 C7 O2 -35.0(4) . .
O4 Cd1 C7 C1 -16(10) 1_655 .
O15 Cd1 C7 C1 -178(100) . .
O1 Cd1 C7 C1 4(10) . .
O14 Cd1 C7 C1 88(10) 1_554 .
O2 Cd1 C7 C1 -175(10) . .
O9 Cd1 C7 C1 -89(10) . .
Cd2 Cd1 C7 C1 150(10) . .
C2 C3 C8 O3 30.6(10) . .
C4 C3 C8 O3 -154.2(7) . .
C2 C3 C8 O4 -150.6(7) . .
C4 C3 C8 O4 24.6(11) . .
O5 C9 C10 C11 -142.9(8) . .
O5 C9 C10 C15 40.0(11) . .
C15 C10 C11 C12 0.0(13) . .
C9 C10 C11 C12 -177.3(8) . .
C10 C11 C12 C13 -0.8(14) . .
C11 C12 C13 C14 1.5(13) . .
C11 C12 C13 C16 178.4(8) . .
C12 C13 C14 C15 -1.3(13) . .
C16 C13 C14 C15 -178.3(8) . .
C13 C14 C15 C10 0.5(14) . .
C11 C10 C15 C14 0.2(13) . .
C9 C10 C15 C14 177.5(9) . .
C14 C13 C16 C17 -134.1(10) . .
C12 C13 C16 C17 49.0(13) . .
C14 C13 C16 C21 50.7(12) . .
C12 C13 C16 C21 -126.1(9) . .
C21 C16 C17 C18' 16.5(18) . .
C13 C16 C17 C18' -158.7(14) . .
C21 C16 C17 C22 -179.4(10) . .
C13 C16 C17 C22 5.4(16) . .
C21 C16 C17 C18 -16.3(17) . .
C13 C16 C17 C18 168.5(13) . .
C16 C17 C18' C18 -94(4) . .
C22 C17 C18' C18 100(4) . .
C16 C17 C18' C19' -21(3) . .
C22 C17 C18' C19' 173.5(19) . .
C18 C17 C18' C19' 74(4) . .
C16 C17 C18' C19 -45(2) . .
C22 C17 C18' C19 149.1(14) . .
C18 C17 C18' C19 49(3) . .
C19' C18' C18 C19 -5(3) . .
C17 C18' C18 C19 117(2) . .
C17 C18' C18 C19' 122.6(16) . .
C19 C18' C18 C19' 5(3) . .
C19' C18' C18 C17 -122.6(16) . .
C19 C18' C18 C17 -117(2) . .
C16 C17 C18 C18' 102(4) . .
C22 C17 C18 C18' -93(4) . .
C16 C17 C18 C19 12(3) . .
C18' C17 C18 C19 -89(4) . .
C22 C17 C18 C19 177.2(18) . .
C16 C17 C18 C19' 44(2) . .
C18' C17 C18 C19' -58(4) . .
C22 C17 C18 C19' -151.2(17) . .
C18' C18 C19 C19' 10(5) . .
C17 C18 C19 C19' 79(3) . .
C18' C18 C19 C20 -63(5) . .
C19' C18 C19 C20 -73(3) . .
C17 C18 C19 C20 5(3) . .
C19' C18 C19 C18' -10(5) . .
C17 C18 C19 C18' 69(4) . .
C18 C18' C19 C19' -168(6) . .
C17 C18' C19 C19' 123(4) . .
C18 C18' C19 C20 125(4) . .
C19' C18' C19 C20 -67(3) . .
C17 C18' C19 C20 56(2) . .
C19' C18' C19 C18 168(6) . .
C17 C18' C19 C18 -69(4) . .
C20 C19 C19' C18' 116(2) . .
C18 C19 C19' C18' -5(3) . .
C20 C19 C19' C18 121.1(15) . .
C18' C19 C19' C18 5(3) . .
C18 C19 C19' C20 -121.1(15) . .
C18' C19 C19' C20 -116(2) . .
C18 C18' C19' C19 10(5) . .
C17 C18' C19' C19 -67(4) . .
C17 C18' C19' C18 -77(4) . .
C19 C18' C19' C18 -10(5) . .
C18 C18' C19' C20 82(4) . .
C17 C18' C19' C20 5(3) . .
C19 C18' C19' C20 72(3) . .
C18' C18 C19' C19 -170(5) . .
C17 C18 C19' C19 -115(3) . .
C19 C18 C19' C18' 170(5) . .
C17 C18 C19' C18' 55(3) . .
C18' C18 C19' C20 -111(4) . .
C19 C18 C19' C20 58(3) . .
C17 C18 C19' C20 -57(2) . .
C19' C19 C20 C21 -90(3) . .
C18 C19 C20 C21 -19(3) . .
C18' C19 C20 C21 -42(2) . .
C18 C19 C20 C19' 71(3) . .
C18' C19 C20 C19' 48(2) . .
C19 C19' C20 C21 107(3) . .
C18' C19' C20 C21 14(3) . .
C18 C19' C20 C21 46(2) . .
C18' C19' C20 C19 -93(4) . .
C18 C19' C20 C19 -61(3) . .
C19 C20 C21 C16 15.7(19) . .
C19' C20 C21 C16 -18.1(18) . .
C17 C16 C21 C20 3.2(14) . .
C13 C16 C21 C20 178.6(9) . .
C16 C17 C22 O6 58.6(15) . .
C18' C17 C22 O6 -136.5(14) . .
C18 C17 C22 O6 -104.9(14) . .
C16 C17 C22 O7 -120.2(12) . .
C18' C17 C22 O7 44.8(17) . .
C18 C17 C22 O7 76.4(16) . .
C28 C23 C24 C25 0.3(12) . .
C29 C23 C24 C25 -177.9(7) . .
C23 C24 C25 C26 -0.6(12) . .
C23 C24 C25 C30 -178.5(7) . .
C24 C25 C26 C27 0.0(12) . .
C30 C25 C26 C27 177.9(8) . .
C25 C26 C27 O12 177.2(7) . .
C25 C26 C27 C28 0.9(13) . .
O12 C27 C28 C23 -177.2(8) . .
C26 C27 C28 C23 -1.2(13) . .
C24 C23 C28 C27 0.6(12) . .
C29 C23 C28 C27 178.9(7) . .
C24 C23 C29 O8 159.3(7) . .
C28 C23 C29 O8 -18.9(11) . .
C24 C23 C29 O9 -20.6(11) . .
C28 C23 C29 O9 161.1(7) . .
C24 C23 C29 Cd4 129(4) . .
C28 C23 C29 Cd4 -49(4) . .
O11 Cd4 C29 O8 12.9(6) 1_655 .
O16 Cd4 C29 O8 -171.9(4) . .
O7 Cd4 C29 O8 -82.4(5) 1_665 .
O9 Cd4 C29 O8 175.5(8) . .
O4 Cd4 C29 O8 101.1(5) 1_655 .
O11 Cd4 C29 O9 -162.6(4) 1_655 .
O16 Cd4 C29 O9 12.6(5) . .
O8 Cd4 C29 O9 -175.5(8) . .
O7 Cd4 C29 O9 102.2(5) 1_665 .
O4 Cd4 C29 O9 -74.4(4) 1_655 .
O11 Cd4 C29 C23 45(4) 1_655 .
O16 Cd4 C29 C23 -139(4) . .
O8 Cd4 C29 C23 32(4) . .
O7 Cd4 C29 C23 -50(4) 1_665 .
O9 Cd4 C29 C23 -152(4) . .
O4 Cd4 C29 C23 134(4) 1_655 .
C26 C25 C30 O10 -172.4(8) . .
C24 C25 C30 O10 5.5(12) . .
C26 C25 C30 O11 4.3(12) . .
C24 C25 C30 O11 -177.8(7) . .
O12 C31 C32 C33 29.3(12) . .
O12 C31 C32 C37 -152.5(8) . .
C37 C32 C33 C34 -1.2(12) . .
C31 C32 C33 C34 176.9(8) . .
C32 C33 C34 C35 -0.3(13) . .
C33 C34 C35 C36 1.8(12) . .
C33 C34 C35 C38 -178.2(7) . .
C34 C35 C36 C37 -1.8(12) . .
C38 C35 C36 C37 178.2(7) . .
C35 C36 C37 C32 0.2(12) . .
C33 C32 C37 C36 1.3(12) . .
C31 C32 C37 C36 -177.0(8) . .
C36 C35 C38 C39 -128.1(9) . .
C34 C35 C38 C39 51.9(12) . .
C36 C35 C38 C43 47.5(11) . .
C34 C35 C38 C43 -132.5(9) . .
C43 C38 C39 C40 -0.3(13) . .
C35 C38 C39 C40 175.4(8) . .
C38 C39 C40 C41 -1.6(14) . .
C39 C40 C41 C42 2.1(15) . .
C40 C41 C42 C43 -0.8(16) . .
C41 C42 C43 C38 -1.1(15) . .
C41 C42 C43 C44 173.5(9) . .
C39 C38 C43 C42 1.6(13) . .
C35 C38 C43 C42 -174.0(8) . .
C39 C38 C43 C44 -172.7(9) . .
C35 C38 C43 C44 11.6(13) . .
C42 C43 C44 O14 42.6(12) . .
C38 C43 C44 O14 -143.0(8) . .
C42 C43 C44 O13 -136.6(9) . .
C38 C43 C44 O13 37.8(12) . .
N1 C45 C45' N2' -142(2) . .
N2' C45 C45' N1 142(2) . .
N2' C45 C45' C46 17(3) . .
N1 C45 C45' C46 -125(5) . .
N2' C45 C45' C47' 111(4) . .
N1 C45 C45' C47' -31(3) . .
N2' C45 C45' C46' 43(4) . .
N1 C45 C45' C46' -100(4) . .
C45 C45' C46 C46' 98(8) . .
N2' C45' C46 C46' 119(8) . .
N1 C45' C46 C46' -13(8) . .
C47' C45' C46 C46' -21(7) . .
C45 C45' C46 N2' -21(4) . .
N1 C45' C46 N2' -133(3) . .
C47' C45' C46 N2' -140(3) . .
C46' C45' C46 N2' -119(8) . .
C45 C45' C46 N2 114(5) . .
N2' C45' C46 N2 136(3) . .
N1 C45' C46 N2 3(4) . .
C47' C45' C46 N2 -5(2) . .
C46' C45' C46 N2 16(6) . .
C45 C45' C46 C47' 119(5) . .
N2' C45' C46 C47' 140(3) . .
N1 C45' C46 C47' 7(2) . .
C46' C45' C46 C47' 21(7) . .
N2' C46 C46' N2 163(14) . .
C45' C46 C46' N2 112(18) . .
C47' C46 C46' N2 87(20) . .
N2' C46 C46' C47' 76(9) . .
C45' C46 C46' C47' 25(8) . .
N2 C46 C46' C47' -87(20) . .
C45' C46 C46' N2' -51(5) . .
N2 C46 C46' N2' -163(14) . .
C47' C46 C46' N2' -76(9) . .
N2' C46 C46' C45' 51(5) . .
N2 C46 C46' C45' -112(18) . .
C47' C46 C46' C45' -25(8) . .
N2' C46 C46' C47 82(12) . .
C45' C46 C46' C47 31(12) . .
N2 C46 C46' C47 -81(21) . .
C47' C46 C46' C47 6(5) . .
C45 C45' C46' C46 -99(8) . .
N2' C45' C46' C46 -50(7) . .
N1 C45' C46' C46 168(7) . .
C47' C45' C46' C46 155(8) . .
C45 C45' C46' N2 111(6) . .
N2' C45' C46' N2 159(5) . .
N1 C45' C46' N2 18(5) . .
C46 C45' C46' N2 -150(11) . .
C47' C45' C46' N2 5(4) . .
C45 C45' C46' C47' 106(5) . .
N2' C45' C46' C47' 154(3) . .
N1 C45' C46' C47' 13(2) . .
C46 C45' C46' C47' -155(8) . .
C45 C45' C46' N2' -49(4) . .
N1 C45' C46' N2' -141(3) . .
C46 C45' C46' N2' 50(7) . .
C47' C45' C46' N2' -154(3) . .
C45 C45' C46' C47 101(5) . .
N2' C45' C46' C47 150(2) . .
N1 C45' C46' C47 8(2) . .
C46 C45' C46' C47 -160(8) . .
C47' C45' C46' C47 -5(3) . .
C46 C46' C47 C47' -15(13) . .
N2 C46' C47 C47' -157(8) . .
N2' C46' C47 C47' 35(7) . .
C45' C46' C47 C47' 12(6) . .
C46 C46' C47 N2 141(14) . .
C47' C46' C47 N2 157(8) . .
N2' C46' C47 N2 -168(5) . .
C45' C46' C47 N2 169(4) . .
C46 C46' C47 N1 -34(12) . .
N2 C46' C47 N1 -175(4) . .
C47' C46' C47 N1 -18(6) . .
N2' C46' C47 N1 17(3) . .
C45' C46' C47 N1 -6.5(17) . .
N2 C47 C47' N1 -163(5) . .
C46' C47 C47' N1 -151(8) . .
N1 C47 C47' N2 163(5) . .
C46' C47 C47' N2 12(4) . .
N2 C47 C47' C46' -12(4) . .
N1 C47 C47' C46' 151(8) . .
N2 C47 C47' C45' -116(28) . .
N1 C47 C47' C45' 47(25) . .
C46' C47 C47' C45' -104(29) . .
N2 C47 C47' C46 -8(6) . .
N1 C47 C47' C46 155(10) . .
C46' C47 C47' C46 4(4) . .
C46 C46' C47' C47 168(10) . .
N2 C46' C47' C47 18(6) . .
N2' C46' C47' C47 -149(6) . .
C45' C46' C47' C47 -167(7) . .
C46 C46' C47' N1 -41(10) . .
N2 C46' C47' N1 168(4) . .
N2' C46' C47' N1 2(4) . .
C45' C46' C47' N1 -16(3) . .
C47 C46' C47' N1 151(9) . .
C46 C46' C47' N2 151(10) . .
N2' C46' C47' N2 -167(4) . .
C45' C46' C47' N2 176(3) . .
C47 C46' C47' N2 -18(6) . .
C46 C46' C47' C45' -25(8) . .
N2 C46' C47' C45' -176(3) . .
N2' C46' C47' C45' 18(2) . .
C47 C46' C47' C45' 167(7) . .
N2 C46' C47' C46 -151(10) . .
N2' C46' C47' C46 43(8) . .
C45' C46' C47' C46 25(8) . .
C47 C46' C47' C46 -168(10) . .
C45 C45' C47' C47 -9(30) . .
N2' C45' C47' C47 85(28) . .
N1 C45' C47' C47 -53(28) . .
C46 C45' C47' C47 119(28) . .
C46' C45' C47' C47 110(28) . .
C45 C45' C47' N1 44(4) . .
N2' C45' C47' N1 138(3) . .
C46 C45' C47' N1 171(3) . .
C46' C45' C47' N1 163(3) . .
C45 C45' C47' N2 -122(4) . .
N2' C45' C47' N2 -28(4) . .
N1 C45' C47' N2 -166(3) . .
C46 C45' C47' N2 5(3) . .
C46' C45' C47' N2 -3(2) . .
C45 C45' C47' C46' -119(4) . .
N2' C45' C47' C46' -25(3) . .
N1 C45' C47' C46' -163(3) . .
C46 C45' C47' C46' 9(3) . .
C45 C45' C47' C46 -127(4) . .
N2' C45' C47' C46 -33(3) . .
N1 C45' C47' C46 -171(3) . .
C46' C45' C47' C46 -9(3) . .
C46' C46 C47' C47 -14(12) . .
N2' C46 C47' C47 -134(8) . .
C45' C46 C47' C47 -165(9) . .
N2 C46 C47' C47 9(7) . .
C46' C46 C47' N1 143(9) . .
N2' C46 C47' N1 23(3) . .
C45' C46 C47' N1 -7(2) . .
N2 C46 C47' N1 166(3) . .
C46' C46 C47' N2 -23(8) . .
N2' C46 C47' N2 -143(3) . .
C45' C46 C47' N2 -174(3) . .
N2' C46 C47' C46' -120(10) . .
C45' C46 C47' C46' -150(10) . .
N2 C46 C47' C46' 23(8) . .
C46' C46 C47' C45' 150(10) . .
N2' C46 C47' C45' 31(2) . .
N2 C46 C47' C45' 174(3) . .
N2 C48 C48' N2' 82(2) 2_564 .
O2 C7 O1 Cd1 -1.7(8) . .
C1 C7 O1 Cd1 -179.8(6) . .
O4 Cd1 O1 C7 165.0(5) 1_655 .
O15 Cd1 O1 C7 -3.3(7) . .
O14 Cd1 O1 C7 -93.8(5) 1_554 .
O2 Cd1 O1 C7 0.9(4) . .
O9 Cd1 O1 C7 84.0(5) . .
Cd2 Cd1 O1 C7 -38.0(5) . .
O1 C7 O2 Cd1 1.6(7) . .
C1 C7 O2 Cd1 179.7(6) . .
O4 Cd1 O2 C7 -44.6(8) 1_655 .
O15 Cd1 O2 C7 176.8(4) . .
O1 Cd1 O2 C7 -0.9(4) . .
O14 Cd1 O2 C7 82.0(4) 1_554 .
O9 Cd1 O2 C7 -90.4(4) . .
Cd2 Cd1 O2 C7 142.9(4) . .
O4 C8 O3 Cd3 46.7(11) . 1_455
C3 C8 O3 Cd3 -134.6(6) . 1_455
O3 C8 O4 Cd1 26.4(10) . 1_455
C3 C8 O4 Cd1 -152.3(5) . 1_455
O3 C8 O4 Cd4 -87.2(8) . 1_455
C3 C8 O4 Cd4 94.1(7) . 1_455
C4 C5 O5 C9 -1.4(13) . .
C6 C5 O5 C9 179.4(8) . .
C10 C9 O5 C5 -172.1(8) . .
O7 C22 O6 Cd3 -2.4(17) . 2
C17 C22 O6 Cd3 179.0(6) . 2
O6 C22 O7 Cd4 33.8(14) . 1_445
C17 C22 O7 Cd4 -147.5(7) . 1_445
O9 C29 O8 Cd4 4.9(8) . .
C23 C29 O8 Cd4 -175.1(6) . .
O11 Cd4 O8 C29 -169.3(5) 1_655 .
O16 Cd4 O8 C29 11.9(6) . .
O7 Cd4 O8 C29 96.8(5) 1_665 .
O9 Cd4 O8 C29 -2.6(4) . .
O4 Cd4 O8 C29 -76.9(5) 1_655 .
O8 C29 O9 Cd1 87.8(8) . .
C23 C29 O9 Cd1 -92.2(8) . .
Cd4 C29 O9 Cd1 92.1(4) . .
O8 C29 O9 Cd4 -4.3(7) . .
C23 C29 O9 Cd4 175.7(6) . .
O4 Cd1 O9 C29 -68.1(6) 1_655 .
O15 Cd1 O9 C29 -173.5(6) . .
O1 Cd1 O9 C29 40.0(6) . .
O14 Cd1 O9 C29 51.7(13) 1_554 .
O2 Cd1 O9 C29 96.0(6) . .
C7 Cd1 O9 C29 67.5(6) . .
Cd2 Cd1 O9 C29 158.3(5) . .
O4 Cd1 O9 Cd4 18.84(18) 1_655 .
O15 Cd1 O9 Cd4 -86.57(18) . .
O1 Cd1 O9 Cd4 127.00(19) . .
O14 Cd1 O9 Cd4 138.6(10) 1_554 .
O2 Cd1 O9 Cd4 -177.1(2) . .
C7 Cd1 O9 Cd4 154.5(2) . .
Cd2 Cd1 O9 Cd4 -114.75(12) . .
O11 Cd4 O9 C29 29.6(6) 1_655 .
O16 Cd4 O9 C29 -168.6(4) . .
O8 Cd4 O9 C29 2.5(4) . .
O7 Cd4 O9 C29 -79.2(5) 1_665 .
O4 Cd4 O9 C29 100.5(4) 1_655 .
O11 Cd4 O9 Cd1 -87.7(4) 1_655 .
O16 Cd4 O9 Cd1 74.10(19) . .
O8 Cd4 O9 Cd1 -114.8(3) . .
O7 Cd4 O9 Cd1 163.5(2) 1_665 .
O4 Cd4 O9 Cd1 -16.80(16) 1_655 .
C29 Cd4 O9 Cd1 -117.3(5) . .
O11 C30 O10 Cd3 51.7(14) . 2_565
C25 C30 O10 Cd3 -131.9(8) . 2_565
O10 C30 O11 Cd4 2.9(11) . 1_455
C25 C30 O11 Cd4 -173.6(5) . 1_455
C28 C27 O12 C31 -9.0(13) . .
C26 C27 O12 C31 174.8(8) . .
C32 C31 O12 C27 170.5(7) . .
O14 C44 O13 Cd2 18.3(11) . 1_556
C43 C44 O13 Cd2 -162.5(5) . 1_556
O13 C44 O14 Cd1 48.4(11) . 1_556
C43 C44 O14 Cd1 -130.7(7) . 1_556
N1 Cd2 O15 Cd1 179.0(4) . .
O13 Cd2 O15 Cd1 1.8(3) 1_554 .
O1W Cd2 O15 Cd1 -86.0(2) . .
O2W Cd2 O15 Cd1 84.7(2) . .
N1 Cd2 O15 Cd3 -57.5(5) . .
O13 Cd2 O15 Cd3 125.3(3) 1_554 .
O1W Cd2 O15 Cd3 37.5(3) . .
O2W Cd2 O15 Cd3 -151.8(3) . .
Cd1 Cd2 O15 Cd3 123.5(4) . .
O4 Cd1 O15 Cd2 137.1(2) 1_655 .
O1 Cd1 O15 Cd2 -54.6(4) . .
O14 Cd1 O15 Cd2 32.9(2) 1_554 .
O2 Cd1 O15 Cd2 -58.0(2) . .
O9 Cd1 O15 Cd2 -139.4(2) . .
C7 Cd1 O15 Cd2 -56.3(3) . .
O4 Cd1 O15 Cd3 5.3(3) 1_655 .
O1 Cd1 O15 Cd3 173.7(3) . .
O14 Cd1 O15 Cd3 -98.8(2) 1_554 .
O2 Cd1 O15 Cd3 170.2(2) . .
O9 Cd1 O15 Cd3 88.8(2) . .
C7 Cd1 O15 Cd3 172.0(2) . .
Cd2 Cd1 O15 Cd3 -131.8(3) . .
O3 Cd3 O15 Cd2 -92.2(3) 1_655 .
O10 Cd3 O15 Cd2 79.4(3) 2_565 .
O16 Cd3 O15 Cd2 148.7(6) 2_665 .
O16 Cd3 O15 Cd2 173.8(3) . .
O6 Cd3 O15 Cd2 -6.9(3) 2 .
O3 Cd3 O15 Cd1 27.1(2) 1_655 .
O10 Cd3 O15 Cd1 -161.3(2) 2_565 .
O16 Cd3 O15 Cd1 -92.0(8) 2_665 .
O16 Cd3 O15 Cd1 -66.9(2) . .
O6 Cd3 O15 Cd1 112.3(2) 2 .
O11 Cd4 O16 Cd3 -24.7(3) 1_655 2_665
O8 Cd4 O16 Cd3 154.0(2) . 2_665
O7 Cd4 O16 Cd3 70.2(3) 1_665 2_665
O9 Cd4 O16 Cd3 165.7(2) . 2_665
O4 Cd4 O16 Cd3 -118.0(2) 1_655 2_665
C29 Cd4 O16 Cd3 159.9(2) . 2_665
O11 Cd4 O16 Cd3 88.1(3) 1_655 .
O8 Cd4 O16 Cd3 -93.2(4) . .
O7 Cd4 O16 Cd3 -177.0(3) 1_665 .
O9 Cd4 O16 Cd3 -81.5(3) . .
O4 Cd4 O16 Cd3 -5.2(3) 1_655 .
C29 Cd4 O16 Cd3 -87.3(3) . .
O3 Cd3 O16 Cd4 -17.2(3) 1_655 .
O10 Cd3 O16 Cd4 159.4(3) 2_565 .
O16 Cd3 O16 Cd4 -113.8(4) 2_665 .
O15 Cd3 O16 Cd4 71.9(3) . .
O6 Cd3 O16 Cd4 -103.8(11) 2 .
O3 Cd3 O16 Cd3 96.6(2) 1_655 2_665
O10 Cd3 O16 Cd3 -86.9(2) 2_565 2_665
O16 Cd3 O16 Cd3 0.0 2_665 2_665
O15 Cd3 O16 Cd3 -174.4(2) . 2_665
O6 Cd3 O16 Cd3 10.0(12) 2 2_665
C47 C47' N1 C45' 169(7) . .
N2 C47' N1 C45' 40(9) . .
C46' C47' N1 C45' 18(3) . .
C46 C47' N1 C45' 7(2) . .
C47 C47' N1 C45 147(6) . .
N2 C47' N1 C45 18(10) . .
C46' C47' N1 C45 -4(4) . .
C45' C47' N1 C45 -21.8(19) . .
C46 C47' N1 C45 -15(3) . .
N2 C47' N1 C47 -129(14) . .
C46' C47' N1 C47 -151(9) . .
C45' C47' N1 C47 -169(7) . .
C46 C47' N1 C47 -162(8) . .
C47 C47' N1 Cd2 -40(8) . .
N2 C47' N1 Cd2 -170(8) . .
C46' C47' N1 Cd2 168.5(18) . .
C45' C47' N1 Cd2 151(2) . .
C46 C47' N1 Cd2 157.8(15) . .
C45 C45' N1 C47' -144(3) . .
N2' C45' N1 C47' -74(5) . .
C46 C45' N1 C47' -9(3) . .
C46' C45' N1 C47' -14(3) . .
N2' C45' N1 C45 70(5) . .
C46 C45' N1 C45 135(4) . .
C47' C45' N1 C45 144(3) . .
C46' C45' N1 C45 130(4) . .
C45 C45' N1 C47 -140(3) . .
N2' C45' N1 C47 -70(5) . .
C46 C45' N1 C47 -5(3) . .
C47' C45' N1 C47 5(3) . .
C46' C45' N1 C47 -9(3) . .
C45 C45' N1 Cd2 66(3) . .
N2' C45' N1 Cd2 136(4) . .
C46 C45' N1 Cd2 -159.4(19) . .
C47' C45' N1 Cd2 -150(3) . .
C46' C45' N1 Cd2 -163.9(17) . .
C45' C45 N1 C47' 36(3) . .
N2' C45 N1 C47' 5(3) . .
N2' C45 N1 C45' -32(2) . .
C45' C45 N1 C47 52(4) . .
N2' C45 N1 C47 21(3) . .
C45' C45 N1 Cd2 -138(2) . .
N2' C45 N1 Cd2 -169.6(12) . .
N2 C47 N1 C47' 16(5) . .
C46' C47 N1 C47' 19(6) . .
C47' C47 N1 C45' -11(7) . .
N2 C47 N1 C45' 5(3) . .
C46' C47 N1 C45' 8(2) . .
C47' C47 N1 C45 -40(7) . .
N2 C47 N1 C45 -24(3) . .
C46' C47 N1 C45 -21(3) . .
C47' C47 N1 Cd2 150(6) . .
N2 C47 N1 Cd2 166.7(17) . .
C46' C47 N1 Cd2 169.2(12) . .
O13 Cd2 N1 C47' -103(3) 1_554 .
O15 Cd2 N1 C47' 80(3) . .
O1W Cd2 N1 C47' -12(3) . .
O2W Cd2 N1 C47' 175(3) . .
Cd1 Cd2 N1 C47' 83(3) . .
O13 Cd2 N1 C45' 31(2) 1_554 .
O15 Cd2 N1 C45' -146(2) . .
O1W Cd2 N1 C45' 123(2) . .
O2W Cd2 N1 C45' -51(2) . .
Cd1 Cd2 N1 C45' -142(2) . .
O13 Cd2 N1 C45 68.9(13) 1_554 .
O15 Cd2 N1 C45 -108.2(12) . .
O1W Cd2 N1 C45 160.4(12) . .
O2W Cd2 N1 C45 -13.1(12) . .
Cd1 Cd2 N1 C45 -105(2) . .
O13 Cd2 N1 C47 -120.4(15) 1_554 .
O15 Cd2 N1 C47 62.4(16) . .
O1W Cd2 N1 C47 -29.0(16) . .
O2W Cd2 N1 C47 157.6(15) . .
Cd1 Cd2 N1 C47 66(3) . .
C46 C46' N2 C47' -101(20) . .
N2' C46' N2 C47' 42(11) . .
C45' C46' N2 C47' -5(4) . .
C47 C46' N2 C47' 9(3) . .
C46 C46' N2 C47 -110(20) . .
C47' C46' N2 C47 -9(3) . .
N2' C46' N2 C47 33(13) . .
C45' C46' N2 C47 -14(5) . .
C47' C46' N2 C46 101(20) . .
N2' C46' N2 C46 143(29) . .
C45' C46' N2 C46 96(21) . .
C47 C46' N2 C46 110(20) . .
C46 C46' N2 C48 83(20) . 2_564
C47' C46' N2 C48 -176(4) . 2_564
N2' C46' N2 C48 -134(10) . 2_564
C45' C46' N2 C48 179(2) . 2_564
C47 C46' N2 C48 -167(5) . 2_564
C47 C47' N2 C46' -164(6) . .
N1 C47' N2 C46' -29(10) . .
C45' C47' N2 C46' 4(3) . .
C46 C47' N2 C46' 9(3) . .
N1 C47' N2 C47 135(13) . .
C46' C47' N2 C47 164(6) . .
C45' C47' N2 C47 168(7) . .
C46 C47' N2 C47 173(5) . .
C47 C47' N2 C46 -173(5) . .
N1 C47' N2 C46 -38(9) . .
C46' C47' N2 C46 -9(3) . .
C45' C47' N2 C46 -5(2) . .
C47 C47' N2 C48 7(10) . 2_564
N1 C47' N2 C48 143(7) . 2_564
C46' C47' N2 C48 172(8) . 2_564
C45' C47' N2 C48 176(6) . 2_564
C46 C47' N2 C48 -179(7) . 2_564
C47' C47 N2 C46' 16(6) . .
N1 C47 N2 C46' 5(4) . .
N1 C47 N2 C47' -11(3) . .
C46' C47 N2 C47' -16(6) . .
C47' C47 N2 C46 7(5) . .
N1 C47 N2 C46 -4(3) . .
C46' C47 N2 C46 -9(3) . .
C47' C47 N2 C48 -177(4) . 2_564
N1 C47 N2 C48 172(2) . 2_564
C46' C47 N2 C48 167(5) . 2_564
N2' C46 N2 C46' -21(17) . .
C45' C46 N2 C46' -71(19) . .
C47' C46 N2 C46' -77(20) . .
C46' C46 N2 C47' 77(20) . .
N2' C46 N2 C47' 55(4) . .
C45' C46 N2 C47' 5(3) . .
C46' C46 N2 C47 73(20) . .
N2' C46 N2 C47 52(5) . .
C45' C46 N2 C47 2(3) . .
C47' C46 N2 C47 -4(3) . .
C46' C46 N2 C48 -104(20) . 2_564
N2' C46 N2 C48 -125(4) . 2_564
C45' C46 N2 C48 -175(2) . 2_564
C47' C46 N2 C48 180(3) . 2_564
C45 C45' N2' C46 164(3) . .
N1 C45' N2' C46 92(5) . .
C47' C45' N2' C46 41(3) . .
C46' C45' N2' C46 19(2) . .
N1 C45' N2' C45 -72(5) . .
C46 C45' N2' C45 -164(3) . .
C47' C45' N2' C45 -123(4) . .
C46' C45' N2' C45 -145(3) . .
C45 C45' N2' C46' 145(3) . .
N1 C45' N2' C46' 73(5) . .
C46 C45' N2' C46' -19(2) . .
C47' C45' N2' C46' 22(3) . .
C45 C45' N2' C48' -71(6) . .
N1 C45' N2' C48' -142(4) . .
C46 C45' N2' C48' 125(6) . .
C47' C45' N2' C48' 167(4) . .
C46' C45' N2' C48' 145(5) . .
C46' C46 N2' C45' -78(9) . .
N2 C46 N2' C45' -71(4) . .
C47' C46 N2' C45' -33(2) . .
C46' C46 N2' C45 -66(9) . .
C45' C46 N2' C45 12(2) . .
N2 C46 N2' C45 -59(5) . .
C47' C46 N2' C45 -21(3) . .
C45' C46 N2' C46' 78(9) . .
N2 C46 N2' C46' 7(6) . .
C47' C46 N2' C46' 45(8) . .
C46' C46 N2' C48' 128(8) . .
C45' C46 N2' C48' -154(3) . .
N2 C46 N2' C48' 135(3) . .
C47' C46 N2' C48' 173(2) . .
N1 C45 N2' C45' 32(2) . .
C45' C45 N2' C46 -18(4) . .
N1 C45 N2' C46 14(3) . .
C45' C45 N2' C46' -35(3) . .
N1 C45 N2' C46' -4(2) . .
C45' C45 N2' C48' 148(3) . .
N1 C45 N2' C48' 179.7(17) . .
C46 C46' N2' C45' 97(9) . .
N2 C46' N2' C45' -60(12) . .
C47' C46' N2' C45' -23(3) . .
C47 C46' N2' C45' -35(3) . .
N2 C46' N2' C46 -157(19) . .
C47' C46' N2' C46 -120(10) . .
C45' C46' N2' C46 -97(9) . .
C47 C46' N2' C46 -131(10) . .
C46 C46' N2' C45 121(9) . .
N2 C46' N2' C45 -36(12) . .
C47' C46' N2' C45 2(3) . .
C45' C46' N2' C45 24(2) . .
C47 C46' N2' C45 -10(3) . .
C46 C46' N2' C48' -62(9) . .
N2 C46' N2' C48' 140(11) . .
C47' C46' N2' C48' 178(2) . .
C45' C46' N2' C48' -159(3) . .
C47 C46' N2' C48' 166(2) . .
C48 C48' N2' C45' 145(5) . .
C48 C48' N2' C46 -99(3) . .
C48 C48' N2' C45 95(2) . .
C48 C48' N2' C46' -80(3) . .
